CHEBI:222859 - M-230B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name M-230B
ChEBI ID CHEBI:222859
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C35H59NO8
Net Charge 0
Average Mass 621.856
Monoisotopic Mass 621.42407
InChI InChI=1S/C35H59NO8/c1-6-12-33-34(41)36-23-30(38)22-32(40)31(39)20-19-28(24-43-5)16-10-14-27(7-2)15-11-18-29(37)17-9-8-13-25(3)21-26(4)35(42)44-33/h10,14,16,21,25,27,30-33,38-40H,6-9,11-13,15,17-20,22-24H2,1-5H3,(H,36,41)/b14-10+,26-21+,28-16-
InChIKey CANOHYLGAOUVMU-JCRVAUONSA-N
SMILES O=C1OC(C(=O)NCC(O)CC(O)C(O)CCC(=CC=CC(CCCC(CCCCC(C=C1C)C)=O)CC)COC)CCC
Metabolite of Species Details
Myxococcus (NCBI:txid32) See: PubMed
ChEBI Ontology
Outgoing M-230B (CHEBI:222859) is a lactam (CHEBI:24995)
M-230B (CHEBI:222859) is a macrolide (CHEBI:25106)
IUPAC Name
(12Z,14E,26E)-16-ethyl-6,8,9-trihydroxy-12-(methoxymethyl)-25,27-dimethyl-2-propyl-1-oxa-4-azacyclooctacosa-12,14,26-triene-3,20,28-trione
Manual Xref Database
8636969 ChemSpider
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